Capensinidin
PubChem CID: 441658
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| Compound Synonyms | Capensinidin, 19077-85-1, Capensinidin chloride, CHEBI:3367, DTXSID00331604, C08595, 2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol, 2-(4-hydroxy-3,5-dimethoxy-phenyl)-5-methoxy-chromenylium-3,7-diol, 3,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-1-benzopyran-1-ium, AC1L9BFD, CAPENSINIDIN CHLORIDE(NEW)(SH), SCHEMBL131502, DTXCID10282698, Q4899233 |
|---|---|
| Topological Polar Surface Area | 89.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | GYLVPQXQQPMCKK-UHFFFAOYSA-O |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | Capensinidin |
| Exact Mass | 345.097 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 345.097 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 345.3 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol |
| Total Atom Stereocenter Count | 0.0 |
| Nih Violation | True |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC)O |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H17O7+ |
- 1. Outgoing r'ship
FOUND_INto/from Plumbago Auriculata (Plant) Rel Props:Source_db:npass_chem_all